| CAS Number | 15595-72-9 |
| Catalog Number | AG00AY1B(AGN-PC-0Q70G8) |
| Chemical Name | 2-Amino-3,3-dimethylcyclohex-1-ene-1-carbonitrile |
| IUPAC Name | 2-amino-3,3-dimethylcyclohexene-1-carbonitrile |
| InChI | InChI=1S/C9H14N2/c1-9(2)5-3-4-7(6-10)8(9)11/h3-5,11H2,1-2H3 |
| InChI Key | FHLGKVQKOGFUND-UHFFFAOYSA-N |
| MDL Number | MFCD18806748 |
| Molecular Formula | C9H14N2 |
| Molecular Weight | 150.2209 |
| SMILES | CC1(C(N)=C(C#N)CCC1)C |
| Synonyms | 2-amino-3,3-dimethylcyclohex-1-ene-1-carbonitrile,
15595-72-9,
ZINC39048731,
AKOS026728454,
MCULE-7357180601,
NE17693,
RP21412,
2-Amino-3,3-dimethylcyclohex-1-enecarbonitrile,
Z1695906816,
1-Cyclohexene-1-carbonitrile,2-amino-3,3-dimethyl-(8CI),
1-Cyclohexene-1-carbonitrile, 2-amino-3,3-dimethyl- (8CI),
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.225g/mol |
| Monoisotopic Mass | 150.116g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number